1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol

C13H17NO — CID 15468731

IUPAC1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol
SMILESC[C@H](c1ccccc1)N1CC=CC(O)C1
InChIInChI=1S/C13H17NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(15)10-14/h2-8,11,13,15H,9-10H2,1H3/t11-,13?/m1/s1
InChIKeyURNGEGPJGAVTPW-JTDNENJMSA-N
MW203.29 g/mol
LogP1.98
Rot. Bonds2

About 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol

1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 15468731) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol
PubChem CID15468731
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol
SMILESC[C@H](c1ccccc1)N1CC=CC(O)C1
InChIInChI=1S/C13H17NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(15)10-14/h2-8,11,13,15H,9-10H2,1H3/t11-,13?/m1/s1
InChIKeyURNGEGPJGAVTPW-JTDNENJMSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 15468712
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
2-[(1S)-1-phenylethyl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole
CID 91570154
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68945895
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
trimethyl-[1-(1-phenylethyl)azetidin-3-yl]oxysilane
CID 14089790
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
2-(1-phenylethyl)-1,2-oxazolidin-4-ol
CID 130523178
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol (CID 15468731) is 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol is C[C@H](c1ccccc1)N1CC=CC(O)C1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is URNGEGPJGAVTPW-JTDNENJMSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(15)10-14/h2-8,11,13,15H,9-10H2,1H3/t11-,13?/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol?
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 15468731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).